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4'-isopropyl-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide

View entire compound with spectra: 2 NMR, and 1 FTIR

4'-isopropyl-2-{[4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 8RfJiJ5xncG
InChI InChI=1S/C31H41F3N4OS/c1-4-5-6-7-8-9-10-11-12-17-28-36-37-30(38(28)27-16-14-13-15-26(27)31(32,33)34)40-22-29(39)35-25-20-18-24(19-21-25)23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,35,39)
InChIKey LBFLZFVOSVOBQS-UHFFFAOYSA-N
Mol Weight 574.8 g/mol
Molecular Formula C31H41F3N4OS
Exact Mass 574.295318 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F9qs1ioQyYL
Name 4'-ISOPROPYL-2-{[4-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-5-UNDECYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETANILIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H41F3N4OS
InChI InChI=1S/C31H41F3N4OS/c1-4-5-6-7-8-9-10-11-12-17-28-36-37-30(38(28)27-16-14-13-15-26(27)31(32,33)34)40-22-29(39)35-25-20-18-24(19-21-25)23(2)3/h13-16,18-21,23H,4-12,17,22H2,1-3H3,(H,35,39)
InChIKey LBFLZFVOSVOBQS-UHFFFAOYSA-N
Melting Point 120-122C
Molecular Weight 574.76
Technique KBr WAFER